SCHEMBL3361871

SCHEMBL3361871

[CH2]C1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 20/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3361876 0.89 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3056082 0.87 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3050233 0.86 HCRTR1 (0.46) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL3053095 0.86 HCRTR1 (0.45) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL3053091 0.86 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL3363997 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3363286 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3361281 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3361276 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL924043 0.80 ALDH1A1 (0.48) HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP claimed
EP-2155739-B1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP disclosed